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CHEBI:192124 - 2-Hydroxy-imipramine glucuronide

ChEBI IDCHEBI:192124
ChEBI Name2-Hydroxy-imipramine glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32N2O7
Net Charge0
Average Mass472.538
Monoisotopic Mass472.22095
SMILESCN(C)CCCN1c2ccccc2CCc2cc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)ccc21
InChIInChI=1S/C25H32N2O7/c1-26(2)12-5-13-27-18-7-4-3-6-15(18)8-9-16-14-17(10-11-19(16)27)33-25-22(30)20(28)21(29)23(34-25)24(31)32/h3-4,6-7,10-11,14,20-23,25,28-30H,5,8-9,12-13H2,1-2H3,(H,31,32)/t20-,21-,22+,23-,25+/m0/s1
InChIKeyCBEJFHYWZSCYSD-LYVDORBWSA-N
Species of MetaboliteComponentSourceComments
Marine plankton environmental sample (ncbitaxon:632957) - MetaboLights (MTBLS4424) Found in endometabolome.
ChEBI Ontology
Outgoing Relation(s)
2-Hydroxy-imipramine glucuronide (CHEBI:192124) is a dibenzooxazepine (CHEBI:53802)
IUPAC Name 
(2S,3S,4S,5R,6S)-6-[[11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
9049659ChemSpider
HMDB0060717HMDB